SCHEMBL3034993

SCHEMBL3034993

COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.57
CYP2C9 P11712 7/20 0.57
CYP1A2 P05177 7/20 0.57
KDM4E B2RXH2 6/20 0.57
CYP3A4 P08684 6/20 0.57
CYP2C19 P33261 6/20 0.57
CACNA1C Q13936 6/20 0.57
MAPT P10636 6/20 0.57
HSD17B10 Q99714 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 4/20 0.57
CACNA1F O60840 4/20 0.57
CACNA1D Q01668 4/20 0.57
CACNA1S Q13698 4/20 0.57
TSHR P16473 4/20 0.57
NFKB1 P19838 4/20 0.57
HIF1A Q16665 3/20 0.57
ABCB11 O95342 3/20 0.57
SCN1A P35498 3/20 0.57
SCN5A Q14524 3/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3027420 0.94 CYP2C9 (0.63) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL29676356 0.94 CYP2C9 (0.63) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL3034979 0.90 CACNA1B (0.43) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL3024688 0.89 KDM4E (0.57) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL3034394 0.87 ADORA3 (0.68) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL8215642 0.86 CYP2C9 (0.54) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL14273535 0.84 KDM4E (0.52) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL7414856 0.84 NR1I2 (0.67) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL3026759 0.84 KDM4E (0.62) ADORA3CYP2C9CYP1A2KDM4ECYP3A4
SCHEMBL28736000 0.83 ADORA3 (0.51) ADORA3CYP2C9CYP1A2KDM4ECYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885CYP2C9 4440/4885CYP1A2 3330/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885CYP2C9 4440/4885CYP1A2 3330/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885CYP2C9 4440/4885CYP1A2 3330/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ADORA3 560/4885CYP2C9 4440/4885CYP1A2 3330/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885CYP2C9 4440/4885CYP1A2 3330/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ADORA3 560/4885CYP2C9 4440/4885CYP1A2 3330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.